N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C78H90F3N9O3S3 — CID 157416024

IUPACN-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(C)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(C)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1
InChIInChI=1S/3C26H30FN3OS/c2*1-15(12-28-25(31)24-17(3)22-8-4-16(2)29-26(22)32-24)21-9-7-20(11-23(21)27)30-13-18-5-6-19(10-18)14-30;1-15(12-28-25(31)24-17(3)21-8-4-16(2)29-26(21)32-24)20-7-9-23(22(27)11-20)30-13-18-5-6-19(10-18)14-30/h3*4,7-9,11,15,18-19H,5-6,10,12-14H2,1-3H3,(H,28,31)/t3*15-,18?,19?/m101/s1
InChIKeyBOVWQLCSSIQDIQ-ITKHJBSRSA-N
MW1354.83 g/mol
LogP17.47
Rot. Bonds15

About N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157416024) has the molecular formula C78H90F3N9O3S3 and a molecular weight of 1354.83 g/mol. Its IUPAC name is N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID157416024
Molecular FormulaC78H90F3N9O3S3
Molecular Weight1354.83 g/mol
Exact Mass1353.63
IUPAC NameN-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(C)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(C)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1
InChIInChI=1S/3C26H30FN3OS/c2*1-15(12-28-25(31)24-17(3)22-8-4-16(2)29-26(22)32-24)21-9-7-20(11-23(21)27)30-13-18-5-6-19(10-18)14-30;1-15(12-28-25(31)24-17(3)21-8-4-16(2)29-26(21)32-24)20-7-9-23(22(27)11-20)30-13-18-5-6-19(10-18)14-30/h3*4,7-9,11,15,18-19H,5-6,10,12-14H2,1-3H3,(H,28,31)/t3*15-,18?,19?/m101/s1
InChIKeyBOVWQLCSSIQDIQ-ITKHJBSRSA-N
XLogP17.47
TPSA135.69 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001354.83
LogP ≤ 517.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-(dimethylamino)-6-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;6-methyl-3-(methylamino)-N-(2-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 159264680
CID 165002952
CID 165002952
N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 157416025
N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 157416026
N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 157416027
N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 158755501
N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-5-fluoro-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 159252209
N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 160399660
N-[2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 161388227
3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-cyanophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 157187543
6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157498954
bis(N,3-diethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide);bis(3-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide)
CID 157507152

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 157416024) is N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(C)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(C)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(C)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.
What is the InChIKey of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BOVWQLCSSIQDIQ-ITKHJBSRSA-N. The full InChI is InChI=1S/3C26H30FN3OS/c2*1-15(12-28-25(31)24-17(3)22-8-4-16(2)29-26(22)32-24)21-9-7-20(11-23(21)27)30-13-18-5-6-19(10-18)14-30;1-15(12-28-25(31)24-17(3)21-8-4-16(2)29-26(21)32-24)20-7-9-23(22(27)11-20)30-13-18-5-6-19(10-18)14-30/h3*4,7-9,11,15,18-19H,5-6,10,12-14H2,1-3H3,(H,28,31)/t3*15-,18?,19?/m101/s1.
What are the key properties of N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1354.83 g/mol, XLogP of 17.47, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157416024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).